ID: 112057
SMILES:c1(O)cc(CCC)cc2c1C1C(=C(C)C)C3C(C(O)C(C)(C)O3)Oc3c1c(oc23)C(=O)C(CC=C(C)C)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 546.704
CB1 binding score: -15.288
InChIKey:LXWAERNKSGCIGT-UHFFFAOYSA-N
ID: 112058
SMILES:c12c(cc(C)c(c1)CC1(C)OC(C)(C)CCC1)c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -15.787
InChIKey:KCONSUBXKWPLCE-UHFFFAOYSA-N
ID: 112059
SMILES:C1(O)CC(C)=CC(c2c(O)cc(CCCCC)cc2OC)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.413
InChIKey:QPSCJHNHGIKBKD-UHFFFAOYSA-N
ID: 112060
SMILES:C1C2(c3c(O)cc(CCCCC)cc3OC2C)C2(C)C(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -12.769
InChIKey:XDRQTPWSQALWPK-UHFFFAOYSA-N
ID: 112061
SMILES:c1(C)c(O)c(CC(C)(C)O)c(C2CC(C)=CCC2C(C)=CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.848
InChIKey:KCDJLYKOTTVNJC-UHFFFAOYSA-N
ID: 112062
SMILES:C1(CCC2(C)Oc3cc(C)cc(OC)c3C=C2)=CC(OC)OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -15.111
InChIKey:KJMIMJSOGIEJAB-UHFFFAOYSA-N
ID: 112063
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(CCC(O)C(C)(C)O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.472
CB1 binding score: -16.037
InChIKey:NSGSHDCYVHPSDA-UHFFFAOYSA-N
ID: 112064
SMILES:CC=C(CCC(=CCc1c(O)cc(CCC)cc1OC)C)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.436
InChIKey:VYDAPBLVFCGNPD-UHFFFAOYSA-N
ID: 112065
SMILES:c1(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 112066
SMILES:C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 112067
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 112068
SMILES:C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 112069
SMILES:C1(C)=CC(c2c(O)cc(C)cc2CC=C(C)C)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -14.047
InChIKey:UBJKYBUOGRNDEH-UHFFFAOYSA-N
ID: 112070
SMILES:c1(C=CCO)cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:KOYIZWZMCRSBIX-UHFFFAOYSA-N
ID: 112071
SMILES:CC1(C)Oc2cc(C)cc(O)c2C2C=C(CO)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.328
InChIKey:IWHYDYORMMBLMI-UHFFFAOYSA-N
ID: 112072
SMILES:C(=O)(C(CCC(C)C)C=C)c1cc(OC)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.014
InChIKey:MPCHMGATOXHBPX-UHFFFAOYSA-N
ID: 112073
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C)(CCC=C(C)C)CC(C(=O)C(C)=CC)=C1C(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.712
CB1 binding score: -15.524
InChIKey:KRJUMNSDRWAFCZ-UHFFFAOYSA-N
ID: 112074
SMILES:c1(C(=O)CC(O)C)c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -14.207
InChIKey:ZFLGMBQWCNHWSP-UHFFFAOYSA-N
ID: 112075
SMILES:Oc1cc(CCCCC)c(C(O)=O)c(O)c1CC1C(C)(C)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.092
InChIKey:KMLDWWAEQGRAKX-UHFFFAOYSA-N
ID: 112076
SMILES:c1(OC)c(C2(C)C(C)(C)CCC2)cc(Oc2c(CC=C(C)C)c(O)cc(CCCCC)c2)c(C(=O)O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.699
CB1 binding score: -15.519
InChIKey:ORJGFHVIICJQLV-UHFFFAOYSA-N
ID: 112077
SMILES:C1(C)(C)CCCc2c1cc(=O)c(CCCCC)cc2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -14.99
InChIKey:BOFVCNJNWWYBRQ-UHFFFAOYSA-N